2-(5-bromofuran-2-yl)-6-chloro-1H-benzimidazol-4-amine

C11H7BrClN3O — CID 113371412

IUPAC2-(5-bromofuran-2-yl)-6-chloro-1H-benzimidazol-4-amine
SMILESNc1cc(Cl)cc2[nH]c(-c3ccc(Br)o3)nc12
InChIInChI=1S/C11H7BrClN3O/c12-9-2-1-8(17-9)11-15-7-4-5(13)3-6(14)10(7)16-11/h1-4H,14H2,(H,15,16)
InChIKeyKVAKEHPYGQPSIX-UHFFFAOYSA-N
MW312.55 g/mol
LogP3.82
Rot. Bonds1

About 2-(5-bromofuran-2-yl)-6-chloro-1H-benzimidazol-4-amine

2-(5-bromofuran-2-yl)-6-chloro-1H-benzimidazol-4-amine (PubChem CID 113371412) has the molecular formula C11H7BrClN3O and a molecular weight of 312.55 g/mol. Its IUPAC name is 2-(5-bromofuran-2-yl)-6-chloro-1H-benzimidazol-4-amine.

Molecular Properties

Compound Name2-(5-bromofuran-2-yl)-6-chloro-1H-benzimidazol-4-amine
PubChem CID113371412
Molecular FormulaC11H7BrClN3O
Molecular Weight312.55 g/mol
Exact Mass310.95
IUPAC Name2-(5-bromofuran-2-yl)-6-chloro-1H-benzimidazol-4-amine
SMILESNc1cc(Cl)cc2[nH]c(-c3ccc(Br)o3)nc12
InChIInChI=1S/C11H7BrClN3O/c12-9-2-1-8(17-9)11-15-7-4-5(13)3-6(14)10(7)16-11/h1-4H,14H2,(H,15,16)
InChIKeyKVAKEHPYGQPSIX-UHFFFAOYSA-N
XLogP3.82
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.55
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-bromo-3-methylphenyl)-6-chloro-1H-benzimidazol-4-amine
CID 107982658
6-chloro-2-(1-methylindazol-3-yl)-1H-benzimidazol-4-amine
CID 136785800
2-(5-bromofuran-2-yl)-6-fluoro-1H-benzimidazole
CID 13004835
(4-amino-6-chloro-1H-benzimidazol-2-yl)methanol
CID 115647651
2-(5-bromofuran-2-yl)-6-(trifluoromethyl)-1H-benzimidazole
CID 112730249
2-(5-methylfuran-2-yl)-1H-benzimidazol-4-amine
CID 63695093
2-(5-bromofuran-2-yl)-4-hydroxy-1H-pyrimidin-6-one
CID 63611922
4-bromo-6-chloro-2-phenyl-1H-benzimidazole
CID 53438662
2-(3,5-dichlorophenyl)-1H-benzimidazol-4-amine
CID 63694405
methyl 2-(5-bromofuran-2-yl)-1H-benzimidazole-4-carboxylate
CID 113293389
2-(5-bromofuran-2-yl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine
CID 79820993
6-bromo-2-(5-chlorofuran-2-yl)-1H-benzimidazole
CID 13004842

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromofuran-2-yl)-6-chloro-1H-benzimidazol-4-amine?
The IUPAC name of 2-(5-bromofuran-2-yl)-6-chloro-1H-benzimidazol-4-amine (CID 113371412) is 2-(5-bromofuran-2-yl)-6-chloro-1H-benzimidazol-4-amine.
What is the SMILES notation for 2-(5-bromofuran-2-yl)-6-chloro-1H-benzimidazol-4-amine?
The canonical SMILES for 2-(5-bromofuran-2-yl)-6-chloro-1H-benzimidazol-4-amine is Nc1cc(Cl)cc2[nH]c(-c3ccc(Br)o3)nc12.
What is the InChIKey of 2-(5-bromofuran-2-yl)-6-chloro-1H-benzimidazol-4-amine?
The InChIKey is KVAKEHPYGQPSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClN3O/c12-9-2-1-8(17-9)11-15-7-4-5(13)3-6(14)10(7)16-11/h1-4H,14H2,(H,15,16).
What are the key properties of 2-(5-bromofuran-2-yl)-6-chloro-1H-benzimidazol-4-amine?
2-(5-bromofuran-2-yl)-6-chloro-1H-benzimidazol-4-amine has a molecular weight of 312.55 g/mol, XLogP of 3.82, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromofuran-2-yl)-6-chloro-1H-benzimidazol-4-amine is sourced from PubChem (CID 113371412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).